SCHEMBL17379744

SCHEMBL17379744

COc1cccc(/C=C\C=N)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 10/20 0.46
▸ TRPA1 O75762 1/20 0.46
▸ TFEB P19484 1/20 0.43
▸ CYP1A1 P04798 5/20 0.42
▸ CYP1A2 P05177 5/20 0.42
▸ CYP1B1 Q16678 5/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ TLR2 O60603 1/20 0.41
▸ ERN1 O75460 1/20 0.41
▸ TLR1 Q15399 1/20 0.41
▸ TLR6 Q9Y2C9 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ MAPT P10636 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31689790 0.84 NFE2L2 (0.55) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL31689795 0.84 NFE2L2 (0.55) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL13447647 0.82 TLR2 (0.47) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL18570324 0.81 CDK4 (0.50) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL25555199 0.81 NFE2L2 (0.46) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL17191417 0.79 KDM4E (0.54) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL15132861 0.79 TRPA1 (0.37) TRPA1CYP1A2KDM4EALDH1A1RAB9A
SCHEMBL19193844 0.78 NFE2L2 (0.43) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL22508387 0.77 NFE2L2 (0.42) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL17755255 0.76 CYP3A4 (0.48) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9818951-B2 Polycyclic compound and organic electronic device comprising the same LG CHEM, LTD. (KR) 2017-11-14 — — US disclosed
US-20170305854-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2017-10-26 — — US disclosed
EP-3235892-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2017-10-25 — — EP disclosed
US-20170207396-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-07-20 — — US disclosed
US-20170200904-A1 AN ORGANIC ELECTROLUMINESCENT COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-07-13 — — US disclosed
US-9640766-B2 Organic light emitting diode LG CHEM, LTD. (KR) 2017-05-02 — — US disclosed
US-9620721-B2 OLEDs having high efficiency and excellent lifetime GLOBAL OLED TECHNOLOGY LLC (US) 2017-04-11 — — US disclosed
EP-2814906-B1 SPIROBIFLUORENE COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-10-19 — — EP disclosed
US-20160276596-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2016-09-22 — — US disclosed
EP-3067360-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2016-09-14 — — EP disclosed
US-20160233432-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEM, LTD. (KR) 2016-08-11 — — US disclosed
WO-2015192939-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-12-23 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170305854-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME OTC, TELO2, TERT NFE2L2 98/4885TRPA1 413/4885TFEB 107/4885
US-20160233432-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CRY1, CRY2, NR2E3 NFE2L2 14/4885TRPA1 12/4885TFEB 45/4885
US-20160276596-A1 ORGANIC LIGHT EMITTING DIODE CRY2, CRY1, NR2E3 NFE2L2 255/4885TRPA1 481/4885TFEB 405/4885
US-20170200904-A1 AN ORGANIC ELECTROLUMINESCENT COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TERT, ODC1, ESD NFE2L2 128/4885TRPA1 230/4885TFEB 173/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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